3-(4-chloro-2-fluorophenyl)-5-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]ethyl]-1,3-oxazolidin-2-one

C21H18ClFN2O5S — CID 54052008

IUPAC3-(4-chloro-2-fluorophenyl)-5-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]ethyl]-1,3-oxazolidin-2-one
SMILESO=C1OC(CCOc2ccc(Cc3sc(=O)[nH]c3O)cc2)CN1c1ccc(Cl)cc1F
InChIInChI=1S/C21H18ClFN2O5S/c22-13-3-6-17(16(23)10-13)25-11-15(30-21(25)28)7-8-29-14-4-1-12(2-5-14)9-18-19(26)24-20(27)31-18/h1-6,10,15,26H,7-9,11H2,(H,24,27)
InChIKeyLTNYXNXDSSWQJI-UHFFFAOYSA-N
MW464.90 g/mol
LogP4.32
Rot. Bonds7

About 3-(4-chloro-2-fluorophenyl)-5-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]ethyl]-1,3-oxazolidin-2-one

3-(4-chloro-2-fluorophenyl)-5-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]ethyl]-1,3-oxazolidin-2-one (PubChem CID 54052008) has the molecular formula C21H18ClFN2O5S and a molecular weight of 464.90 g/mol. Its IUPAC name is 3-(4-chloro-2-fluorophenyl)-5-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(4-chloro-2-fluorophenyl)-5-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]ethyl]-1,3-oxazolidin-2-one
PubChem CID54052008
Molecular FormulaC21H18ClFN2O5S
Molecular Weight464.90 g/mol
Exact Mass464.06
IUPAC Name3-(4-chloro-2-fluorophenyl)-5-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]ethyl]-1,3-oxazolidin-2-one
SMILESO=C1OC(CCOc2ccc(Cc3sc(=O)[nH]c3O)cc2)CN1c1ccc(Cl)cc1F
InChIInChI=1S/C21H18ClFN2O5S/c22-13-3-6-17(16(23)10-13)25-11-15(30-21(25)28)7-8-29-14-4-1-12(2-5-14)9-18-19(26)24-20(27)31-18/h1-6,10,15,26H,7-9,11H2,(H,24,27)
InChIKeyLTNYXNXDSSWQJI-UHFFFAOYSA-N
XLogP4.32
TPSA91.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.90
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(4-chloro-2-fluorophenyl)-5-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]ethyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

3-[1-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]propan-2-yl]-5-(phenylsulfanylmethyl)-1,3-oxazolidin-2-one
CID 54045387
4-hydroxy-5-[[4-[[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]methyl]phenyl]methyl]-3H-1,3-thiazol-2-one
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(5S)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one
CID 10806051
4-[[3-(2-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]benzoic acid
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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-fluorophenyl)-5-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-(4-chloro-2-fluorophenyl)-5-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]ethyl]-1,3-oxazolidin-2-one (CID 54052008) is 3-(4-chloro-2-fluorophenyl)-5-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(4-chloro-2-fluorophenyl)-5-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(4-chloro-2-fluorophenyl)-5-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]ethyl]-1,3-oxazolidin-2-one is O=C1OC(CCOc2ccc(Cc3sc(=O)[nH]c3O)cc2)CN1c1ccc(Cl)cc1F.
What is the InChIKey of 3-(4-chloro-2-fluorophenyl)-5-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]ethyl]-1,3-oxazolidin-2-one?
The InChIKey is LTNYXNXDSSWQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN2O5S/c22-13-3-6-17(16(23)10-13)25-11-15(30-21(25)28)7-8-29-14-4-1-12(2-5-14)9-18-19(26)24-20(27)31-18/h1-6,10,15,26H,7-9,11H2,(H,24,27).
What are the key properties of 3-(4-chloro-2-fluorophenyl)-5-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]ethyl]-1,3-oxazolidin-2-one?
3-(4-chloro-2-fluorophenyl)-5-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 464.90 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-fluorophenyl)-5-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 54052008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).